Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC005484

Drug Information
NamePHA-680632
IndicationNot AvailableExperimental    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-
35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-3
4/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36)
InChIKeyOBWNXGOQPLDDPS-UHFFFAOYSA-N
Canonical SMILESCCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C    
TargetSerine/threonine-protein kinase Aurora-AInhibitor[1]
Serine/threonine-protein kinase Aurora-BInhibitor[1]
Serine/threonine-protein kinase Aurora-CInhibitor[1]
Ref 1J Med Chem. 2005 Apr 21;48(8):3080-4.Potent and selective Aurora inhibitors identified by the expansion of a novel scaffold for protein kinase inhibition. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543